On the connection between probability density analysis, QTAIM, and VB theory

The Lewis structures arise naturally as attractors of the all-electron probability density |Ψ|2.

Time-dependent electric field effect on the photodetachment dynamics of negative ions

This paper addresses the photodetachment dynamics of a negative ion in a time-dependent electric field based on the semiclassical open-orbit theory. The photodetached electron probability density in a real time domain is studied in a gradient electric field for the first time. It is found that because of the influence of the gradient electric field, two or more electron trajectories can arrive at a given point on the detector, and the interference effect between these electron trajectories causes oscillatory structures in the electron probability density. Our calculation results suggest that when the external electric field changes very slowly with time, only two electron trajectories can arrive at a given point on the detector and the electron probability density exhibits a regular two-term oscillatory pattern. However, when the electric field changes quickly with time, four electron trajectories can reach the detector, which makes the oscillatory structures in the electron probability density become much more complicated. In addition, the electric field strength, photon energy, and the position of the detector can affect the electron probability density of this system sensitively. Our study provides a clear and intuitive picture for the photodetachment dynamics of the negative ion in the external electric field from a time-dependent viewpoint and may guide the future experimental researches on the photodetachment microscopy of negative ions in the time-dependent electric field.

THE EFFECT OF ELECTRIC FIELD ON A QUANTUM ROD QUBIT

The Hamiltonian of a quantum rod with an ellipsoidal boundary is given after a coordinate transformation, which changes the ellipsoidal boundary into a spherical one. We study the electron which is strongly coupled to the LO-phonon eigenenergies and eigenfunctions of the ground and the first-excited states in a quantum rod under an applied electric field by using variational method of Pekar type. This quantum rod system may be used as a two-level qubit. When the electron is in the superposition state of the ground and the first-excited states, we obtain the time evolution of the electron probability density. The probability density of the electron oscillates in the quantum rod with an oscillation period. It is found that due to the presence of the three-dimensional anisotropic harmonic potential in the radius and the length directions of the quantum rod, the electron probability density shows double-peak configuration, whereas there is only peak if the confinement is a two-dimensional symmetric one in the x- and y-directions. The oscillation period is an increasing function of the ellipsoid aspect ratio and the transverse and longitudinal effective confinement lengths of the quantum rod, whereas it is decreasing one of the electron–phonon coupling strength and the electric field.